Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors

Bioorganic and Medicinal Chemistry Letters

Volumn 23, Issue 9, 2013, Pages 2590-2594

  Huang, Xiaohua ^a   Cheng, Cliff C ^a   Fischmann, Thierry O ^a   Duca, José S ^a   Richards, Matthew ^a   Tadikonda, Praveen K ^a   Reddy, Panduranga Adulla ^a   Zhao, Lianyun ^a   Arshad Siddiqui, M ^a   Parry, David ^a   Davis, Nicole ^a   Seghezzi, Wolfgang ^a   Wiswell, Derek ^a   Shipps Jr , Gerald W ^a  

^a MERCK RESEARCH LABORATORIES   (United States)

Author keywords

2 Aminothiazole 4 carboxamide; CHK1 protein kinase; Hybrid compounds; Structure based drug design

Indexed keywords

2 AMINOTHIAZOLE 4 CARBOXAMIDE DERIVATIVE; CHECKPOINT KINASE 1; CHECKPOINT KINASE 1 INHIBITOR; CYCLIN DEPENDENT KINASE 2; ENZYME INHIBITOR; UNCLASSIFIED DRUG;

ANIMAL EXPERIMENT; AREA UNDER THE CURVE; ARTICLE; CHEMICAL INTERACTION; CHEMICAL MODIFICATION; CRYSTAL STRUCTURE; DRUG BIOAVAILABILITY; DRUG DESIGN; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG SELECTIVITY; DRUG STRUCTURE; ENZYME INHIBITION; HUMAN; IC 50; NONHUMAN; PROCESS OPTIMIZATION; RAT; SINGLE DRUG DOSE; STRUCTURE ACTIVITY RELATION; STRUCTURE BASED DRUG DESIGN;

AMIDES; BINDING SITES; CRYSTALLOGRAPHY, X-RAY; CYCLIN-DEPENDENT KINASE 2; DRUG DESIGN; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; STRUCTURE-ACTIVITY RELATIONSHIP; THIAZOLES;

EID: 84876116616     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2013.02.108     Document Type: Article

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